CID 3070399

N'-(3-chlorophenyl)-n-(2-(diethylamino)-3-propoxypropyl)-n-phenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl)N(CC)CC
InChI
InChI=1S/C23H32ClN3O2/c1-4-15-29-18-22(26(5-2)6-3)17-27(21-13-8-7-9-14-21)23(28)25-20-12-10-11-19(24)16-20/h7-14,16,22H,4-6,15,17-18H2,1-3H3,(H,25,28)
InChIKey
RKJXRBBQDNNWKF-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[2-(diethylamino)-3-propoxypropyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2183 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 205.2
[M+Na]+ 440.20752 215.3
[M+NH4]+ 435.25212 211.7
[M+K]+ 456.18146 207.5
[M-H]- 416.21102 210.6
[M+Na-2H]- 438.19297 212.0
[M]+ 417.21775 208.3
[M]- 417.21885 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.